CID 15727328

15753-48-7

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1C[C@H](C[C@H](C1)O)CO

InChI

InChI=1S/C7H14O2/c8-5-6-2-1-3-7(9)4-6/h6-9H,1-5H2/t6-,7+/m1/s1

InChIKey

PFXRPUFYSLHDMF-RQJHMYQMSA-N

Compound name

(1S,3R)-3-(hydroxymethyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 130.09938 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.10666	127.1
[M+Na]+	153.08860	137.0
[M+NH4]+	148.13320	135.6
[M+K]+	169.06254	131.8
[M-H]-	129.09210	128.0
[M+Na-2H]-	151.07405	131.3
[M]+	130.09883	128.5
[M]-	130.09993	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe